N-[(Z)-3-[[4-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]amino]-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]benzamide

Systemtic Name: N-[(Z)-3-[[4-[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]amino]-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-1-[[4-[2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]-2-(3-pyridyl)vinyl]benzamide CAS Name: N-[(Z)-3-[4-[[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]thio]anilino]-3-oxo-1-(3-pyridinyl)prop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-3-[4-[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl]sulfanylanilino]-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-1-[[4-[[2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl]thio]phenyl]carbamoyl]-2-(3-pyridyl)vinyl]benzamide Formula: C36H29ClN4O4S MolecularWeight: 649.15786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C(=CC4=CN=CC=C4)NC(=O)C5=CC=CC=C5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)/C(=C/C4=CN=CC=C4)/NC(=O)C5=CC=CC=C5)Cl

InChI

InChI=1S/C36H29ClN4O4S/c1-45-32-19-16-28(22-30(32)37)40-36(44)33(25-10-4-2-5-11-25)46-29-17-14-27(15-18-29)39-35(43)31(21-24-9-8-20-38-23-24)41-34(42)26-12-6-3-7-13-26/h2-23,33H,1H3,(H,39,43)(H,40,44)(H,41,42)/b31-21-